Dopamine-Decorated TiO 2 Nanoparticles in Water: A QM/MM vs an MM Description

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Authors: Paulo Siani, Stefano Motta, Lorenzo Ferraro, Asmus O. Dohn, Cristiana Di Valentin

Journal title: Journal of Chemical Theory and Computation

Journal number: 16/10

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 6560-6574

DOI identifier: 10.1021/acs.jctc.0c00483

ISSN: 1549-9618